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feat: simulation search & tagging for large-scale campaigns
enhancementNew feature or requestNew feature or requestStatus: Open.#23 In emdgroup/mdfactory;- Status: Open.#22 In emdgroup/mdfactory;
- Status: Open.#21 In emdgroup/mdfactory;
Extract BaseSlurmConfig to unify SLURM resource config across Parsl backends
enhancementNew feature or requestNew feature or requestStatus: Open.#20 In emdgroup/mdfactory;- Status: Open.#19 In emdgroup/mdfactory;
- Status: Open.#18 In emdgroup/mdfactory;
Investigate Parsl as Python-native workflow manager for build/simulate orchestration
enhancementNew feature or requestNew feature or requestStatus: Open.#16 In emdgroup/mdfactory;- Status: Open.#14 In emdgroup/mdfactory;
Add proteinbox simulation type with pdb2gmx backend
enhancementNew feature or requestNew feature or requestStatus: Open.Implement GPU sharing via NVIDIA MPS for small-system throughput
enhancementNew feature or requestNew feature or requestStatus: Open.#10 In emdgroup/mdfactory;Implement scalability benchmark sweep
enhancementNew feature or requestNew feature or requestStatus: Open.#9 In emdgroup/mdfactory;